| SpectraBase Compound ID | KALm6sHDWvQ |
|---|---|
| InChI | InChI=1S/C12H8N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(14)9-15/h1-7,9H |
| InChIKey | ANNWZZOYLIEVJW-UHFFFAOYSA-N |
| Mol Weight | 196.21 g/mol |
| Molecular Formula | C12H8N2O |
| Exact Mass | 196.063663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7V62NQm4SbT |
|---|---|
| Name | 2-(2-Formyl-1H-pyrrol-1-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.063662885 u |
| Formula | C12H8N2O |
| InChI | InChI=1S/C12H8N2O/c13-8-10-4-1-2-6-12(10)14-7-3-5-11(14)9-15/h1-7,9H |
| InChIKey | ANNWZZOYLIEVJW-UHFFFAOYSA-N |
| Molecular Weight | 196.209 g/mol |
| SMILES | C(C1=C(C=CC=C1)N1C(=CC=C1)C=O)#N |